25-pyridin-3-yl-4-[5-(25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaen-4-yl)naphthalen-1-yl]-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene

C64H38N6O2 — CID 139459826

IUPAC25-pyridin-3-yl-4-[5-(25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaen-4-yl)naphthalen-1-yl]-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene
SMILESc1cncc(-n2c3cc4c(cc3c3cc5ccccc5cc32)Oc2ccccc2N4c2cccc3c(N4c5ccccc5Oc5cc6c7cc8ccccc8cc7n(-c7cccnc7)c6cc54)cccc23)c1
InChIInChI=1S/C64H38N6O2/c1-3-15-41-31-55-47(29-39(41)13-1)49-33-63-59(35-57(49)67(55)43-17-11-27-65-37-43)69(53-21-5-7-25-61(53)71-63)51-23-9-20-46-45(51)19-10-24-52(46)70-54-22-6-8-26-62(54)72-64-34-50-48-30-40-14-2-4-16-42(40)32-56(48)68(58(50)36-60(64)70)44-18-12-28-66-38-44/h1-38H
InChIKeyFRGOMMMSRYWLRE-UHFFFAOYSA-N
MW923.05 g/mol
LogP17.28
Rot. Bonds4

About 25-pyridin-3-yl-4-[5-(25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaen-4-yl)naphthalen-1-yl]-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene

25-pyridin-3-yl-4-[5-(25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaen-4-yl)naphthalen-1-yl]-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene (PubChem CID 139459826) has the molecular formula C64H38N6O2 and a molecular weight of 923.05 g/mol. Its IUPAC name is 25-pyridin-3-yl-4-[5-(25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaen-4-yl)naphthalen-1-yl]-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene.

Molecular Properties

Compound Name25-pyridin-3-yl-4-[5-(25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaen-4-yl)naphthalen-1-yl]-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene
PubChem CID139459826
Molecular FormulaC64H38N6O2
Molecular Weight923.05 g/mol
Exact Mass922.31
IUPAC Name25-pyridin-3-yl-4-[5-(25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaen-4-yl)naphthalen-1-yl]-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene
SMILESc1cncc(-n2c3cc4c(cc3c3cc5ccccc5cc32)Oc2ccccc2N4c2cccc3c(N4c5ccccc5Oc5cc6c7cc8ccccc8cc7n(-c7cccnc7)c6cc54)cccc23)c1
InChIInChI=1S/C64H38N6O2/c1-3-15-41-31-55-47(29-39(41)13-1)49-33-63-59(35-57(49)67(55)43-17-11-27-65-37-43)69(53-21-5-7-25-61(53)71-63)51-23-9-20-46-45(51)19-10-24-52(46)70-54-22-6-8-26-62(54)72-64-34-50-48-30-40-14-2-4-16-42(40)32-56(48)68(58(50)36-60(64)70)44-18-12-28-66-38-44/h1-38H
InChIKeyFRGOMMMSRYWLRE-UHFFFAOYSA-N
XLogP17.28
TPSA60.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.05
LogP ≤ 517.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 25-pyridin-3-yl-4-[5-(25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaen-4-yl)naphthalen-1-yl]-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 25-pyridin-3-yl-4-[5-(25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaen-4-yl)naphthalen-1-yl]-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene?
The IUPAC name of 25-pyridin-3-yl-4-[5-(25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaen-4-yl)naphthalen-1-yl]-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene (CID 139459826) is 25-pyridin-3-yl-4-[5-(25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaen-4-yl)naphthalen-1-yl]-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene.
What is the SMILES notation for 25-pyridin-3-yl-4-[5-(25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaen-4-yl)naphthalen-1-yl]-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene?
The canonical SMILES for 25-pyridin-3-yl-4-[5-(25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaen-4-yl)naphthalen-1-yl]-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene is c1cncc(-n2c3cc4c(cc3c3cc5ccccc5cc32)Oc2ccccc2N4c2cccc3c(N4c5ccccc5Oc5cc6c7cc8ccccc8cc7n(-c7cccnc7)c6cc54)cccc23)c1.
What is the InChIKey of 25-pyridin-3-yl-4-[5-(25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaen-4-yl)naphthalen-1-yl]-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene?
The InChIKey is FRGOMMMSRYWLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N6O2/c1-3-15-41-31-55-47(29-39(41)13-1)49-33-63-59(35-57(49)67(55)43-17-11-27-65-37-43)69(53-21-5-7-25-61(53)71-63)51-23-9-20-46-45(51)19-10-24-52(46)70-54-22-6-8-26-62(54)72-64-34-50-48-30-40-14-2-4-16-42(40)32-56(48)68(58(50)36-60(64)70)44-18-12-28-66-38-44/h1-38H.
What are the key properties of 25-pyridin-3-yl-4-[5-(25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaen-4-yl)naphthalen-1-yl]-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene?
25-pyridin-3-yl-4-[5-(25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaen-4-yl)naphthalen-1-yl]-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene has a molecular weight of 923.05 g/mol, XLogP of 17.28, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 25-pyridin-3-yl-4-[5-(25-pyridin-3-yl-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaen-4-yl)naphthalen-1-yl]-11-oxa-4,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene is sourced from PubChem (CID 139459826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).